Crystallography Open Database

Information card for entry 4100159

Preview

Coordinates	4100159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H139 In6 N21 O60
Calculated formula	C117.24 H128.92 In6 N20.4 O58.42
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	14.4111 ± 0.0013 Å
b	16.0466 ± 0.0014 Å
c	16.7388 ± 0.0015 Å
α	114.216 ± 0.002°
β	95.441 ± 0.002°
γ	91.595 ± 0.002°
Cell volume	3504.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4100159.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4100159.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100159.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4100159.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4100159.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100159.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4100159.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4100159.cif